scholarly journals Tailored morphology and highly enhanced phonon transport in polymer fibers: a multiscale computational framework

2019 ◽  
Vol 5 (1) ◽  
Author(s):  
Shangchao Lin ◽  
Zhuangli Cai ◽  
Yang Wang ◽  
Lingling Zhao ◽  
Chenxi Zhai
Keyword(s):  
Thermal Conductivity ◽  
Large Scale ◽  
Tensile Deformation ◽  
Effective Medium Theory ◽  
Phonon Transport ◽  
Polymer Fibers ◽  
Coarse Grained ◽  
Heat Conducting ◽  
Chain Alignment ◽  
Thermal Drawing

AbstractAlthough tremendous efforts have been devoted to enhance thermal conductivity in polymer fibers, correlation between the thermal-drawing conditions and the resulting chain alignment, crystallinity, and phonon transport properties have remained obscure. Using a carefully trained coarse-grained force field, we systematically interrogate the thermal-drawing conditions of bulk polyethylene samples using large-scale molecular dynamics simulations. An optimal combination of moderate drawing temperature and strain rate is found to achieve highest degrees of chain alignment, crystallinity, and the resulting thermal conductivity. Such combination is rationalized by competing effects in viscoelastic relaxation and condensed to the Deborah number, a predictive metric for the thermal-drawing protocols, showing a delicate balance between stress localizations and chain diffusions. Upon tensile deformation, the thermal conductivity of amorphous polyethylene is enhanced to 80% of the theoretical limit, that is, its pure crystalline counterpart. An effective-medium-theory model, based on the serial-parallel heat conducting nature of semicrystalline polymers, is developed here to predict the impacts from both chain alignment and crystallinity on thermal conductivity. The enhancement in thermal conductivity is mainly attributed to the increases in the intrinsic phonon mean free path and the longitudinal group velocity. This work provides fundamental insights into the polymer thermal-drawing process and establishes a complete process–structure–property relationship for enhanced phonon transport in all-organic electronic devices and efficiency of polymeric heat dissipaters.

scholarly journals Determination of Thermal Conductivity Properties of Coastal Soils for GSHPs and Energy Geostructure Applications in Mexico

Energies ◽  
2021 ◽  
Vol 14 (17) ◽  
pp. 5479
Author(s):  
Norma Patricia López-Acosta ◽  
Alan Igor Zaragoza-Cardiel ◽  
David Francisco Barba-Galdámez
Keyword(s):  
Thermal Conductivity ◽  
Comprehensive Evaluation ◽  
Effective Medium Theory ◽  
Thermal Characteristics ◽  
Soil Classification ◽  
Coarse Grained ◽  
Dry Density ◽  
Fundamental Parameter ◽  
Fine Grained ◽  
Coastal Soils

The thermal conductivity of soils is a fundamental parameter for the design of ground-source heat pump systems (GSHPs) and energy geostructures. This paper presents a comprehensive evaluation of the physical, mineralogical, and thermal characteristics of typical coastal soils from Tabasco, Mexico. Twenty-five soil samples from four different strata were studied using the thermal needle probe method, X-ray diffractometry, scanning electron microscopy, and standard geotechnical soil classification tests. The results showed a significant correlation between the dry density and porosity with the thermal conductivity of the studied samples, which ranged between 1.17 and 2.32 W m−1 K−1. The performed statistical analyses indicated that coarse-grained soils had larger thermal conductivities and higher variability than fine-grained soils. Additionally, the performance of six models to estimate the thermal conductivity of soils was validated against the experimental data. All models provided accurate estimations for fine-grained soils, but only the effective medium theory (EMT) showed an adequate fit for coarse-grained soils. The results represent one of the first datasets for the thermal properties of Mexican soils. They will contribute to the implementation of GSHPs and energy geostructures in the country and locations with similar subsoil conditions, especially where time and resources are not available for their experimental determination.

MFP-Based Monte Carlo Method for Nanostructure Phonon Transport

2019 ◽  
Author(s):  
Jincai Yu ◽  
Wenjing Ye ◽  
Baoling Huang ◽  
Daniel Josephus Villaroman ◽  
Qi Wang
Keyword(s):  
Thermal Conductivity ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Large Scale ◽  
Variance Reduction ◽  
Computational Cost ◽  
Phonon Transport ◽  
First Principles Calculation ◽  
Nanostructured Systems ◽  
Very High

Abstract Phonon Monte Carlo method is a popular method for modeling particle dominated phonon transport. Its accuracy critically depends on its inputs such as relaxation time and dispersion, which are difficult to be obtained accurately and efficiently. As a result, empirical models with many fitting parameters are often used. In addition, for large-scale 3D nanostructured systems, the required computational cost is very high. In this article, we present an efficient and highly parallelizable phonon Monte Carlo method using MFP-cumulative thermal conductivity as the only input. The efficiency is enhanced by incorporating the recently proposed variance-reduction method, and the accuracy is ensured because the MFP-based cumulative thermal conductivity can be accurately obtained by experiments or first principles calculation. Moreover, with the MEP-cumulative thermal conductivity as the input, optical phonons can be naturally included in the calculation, which further improves the accuracy.

Characterization of Interconnect Defects Using Scanning Thermal Conductivity Microscopy

2004 ◽  
Author(s):  
H.W. Ho ◽  
J.C.H. Phang ◽  
A. Altes ◽  
L.J. Balk
Keyword(s):  
Thermal Conductivity ◽  
Integrated Circuits ◽  
Large Scale

Abstract In this paper, scanning thermal conductivity microscopy is used to characterize interconnect defects due to electromigration. Similar features are observed both in the temperature and thermal conductivity micrographs. The key advantage of the thermal conductivity mode is that specimen bias is not required. This is an important advantage for the characterization of defects in large scale integrated circuits. The thermal conductivity micrographs of extrusion, exposed and subsurface voids are presented and compared with the corresponding topography and temperature micrographs.

EBS Behaviour Immediately After Repository Closure in a Clay Host Rock: The HE-E Experiment (Mont Terri URL)

2011 ◽  
Author(s):  
Irina Gaus ◽  
Klaus Wieczorek ◽  
Juan Carlos Mayor ◽  
Thomas Trick ◽  
Jose´-Luis Garcia` Sin˜eriz ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Host Rock ◽  
Large Scale ◽  
Process Models ◽  
Research Activities ◽  
Hydraulic Behaviour ◽  
Validation Experiment ◽  
Engineered Barrier ◽  
Mont Terri

The evolution of the engineered barrier system (EBS) of geological repositories for radioactive waste has been the subject of many research programmes during the last decade. The emphasis of the research activities was on the elaboration of a detailed understanding of the complex thermo-hydro-mechanical-chemical processes, which are expected to evolve in the early post closure period in the near field. It is important to understand the coupled THM-C processes and their evolution occurring in the EBS during the early post-closure phase so it can be confirmed that the safety functions will be fulfilled. Especially, it needs to be ensured that interactions during the resaturation phase (heat pulse, gas generation, non-uniform water uptake from the host rock) do not affect the performance of the EBS in terms of its safety-relevant parameters (e.g. swelling pressure, hydraulic conductivity, diffusivity). The 7th Framework PEBS project (Long Term Performance of Engineered Barrier Systems) aims at providing in depth process understanding for constraining the conceptual and parametric uncertainties in the context of long-term safety assessment. As part of the PEBS project a series of laboratory and URL experiments are envisaged to describe the EBS behaviour after repository closure when resaturation is taking place. In this paper the very early post-closure period is targeted when the EBS is subjected to high temperatures and unsaturated conditions with a low but increasing moisture content. So far the detailed thermo-hydraulic behaviour of a bentonite EBS in a clay host rock has not been evaluated at a large scale in response to temperatures of up to 140°C at the canister surface, produced by HLW (and spent fuel), as anticipated in some of the designs considered. Furthermore, earlier THM experiments have shown that upscaling of thermal conductivity and its dependency on water content and/or humidity from the laboratory scale to a field scale needs further attention. This early post-closure thermal behaviour will be elucidated by the HE-E experiment, a 1:2 scale heating experiment setup at the Mont Terri rock laboratory, that started in June 2011. It will characterise in detail the thermal conductivity at a large scale in both pure bentonite as well as a bentonite-sand mixture, and in the Opalinus Clay host rock. The HE-E experiment is especially designed as a model validation experiment at the large scale and a modelling programme was launched in parallel to the different experimental steps. Scoping calculations were run to help the experimental design and prediction exercises taking the final design into account are foreseen. Calibration and prediction/validation will follow making use of the obtained THM dataset. This benchmarking of THM process models and codes should enhance confidence in the predictive capability of the recently developed numerical tools. It is the ultimate aim to be able to extrapolate the key parameters that might influence the fulfilment of the safety functions defined for the long term steady state.

scholarly journals Testing a Gypsum Composite Based on Raw Gypsum with a Direct Admixture of Paraffin and Polymer to Improve Thermal Properties

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3241
Author(s):  
Krzysztof Powała ◽  
Andrzej Obraniak ◽  
Dariusz Heim
Keyword(s):  
Thermal Conductivity ◽  
Heat Capacity ◽  
Thermal Properties ◽  
Phase Change ◽  
Large Scale ◽  
Building Materials ◽  
Residential Buildings ◽  
Energy Performance ◽  
Polymer Content ◽  
Volumetric Heat Capacity

The implemented new legal regulations regarding thermal comfort, the energy performance of residential buildings, and proecological requirements require the design of new building materials, the use of which will improve the thermal efficiency of newly built and renovated buildings. Therefore, many companies producing building materials strive to improve the properties of their products by reducing the weight of the materials, increasing their mechanical properties, and improving their insulating properties. Currently, there are solutions in phase-change materials (PCM) production technology, such as microencapsulation, but its application on a large scale is extremely costly. This paper presents a solution to the abovementioned problem through the creation and testing of a composite, i.e., a new mixture of gypsum, paraffin, and polymer, which can be used in the production of plasterboard. The presented solution uses a material (PCM) which improves the thermal properties of the composite by taking advantage of the phase-change phenomenon. The study analyzes the influence of polymer content in the total mass of a composite in relation to its thermal conductivity, volumetric heat capacity, and diffusivity. Based on the results contained in this article, the best solution appears to be a mixture with 0.1% polymer content. It is definitely visible in the tests which use drying, hardening time, and paraffin absorption. It differs slightly from the best result in the thermal conductivity test, while it is comparable in terms of volumetric heat capacity and differs slightly from the best result in the thermal diffusivity test.

scholarly journals Decoupling electron and phonon transport in single-nanowire hybrid materials for high-performance thermoelectrics

2021 ◽  
Vol 7 (20) ◽  
pp. eabe6000
Author(s):  
Lin Yang ◽  
Madeleine P. Gordon ◽  
Akanksha K. Menon ◽  
Alexandra Bruefach ◽  
Kyle Haas ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Transport ◽  
Electrical Transport ◽  
High Performance ◽  
Figure Of Merit ◽  
Phonon Transport ◽  
Core Shell ◽  
Nanowire Diameter ◽  
High Performing ◽  
Polycrystalline Thin Films

Organic-inorganic hybrids have recently emerged as a class of high-performing thermoelectric materials that are lightweight and mechanically flexible. However, the fundamental electrical and thermal transport in these materials has remained elusive due to the heterogeneity of bulk, polycrystalline, thin films reported thus far. Here, we systematically investigate a model hybrid comprising a single core/shell nanowire of Te-PEDOT:PSS. We show that as the nanowire diameter is reduced, the electrical conductivity increases and the thermal conductivity decreases, while the Seebeck coefficient remains nearly constant—this collectively results in a figure of merit, ZT, of 0.54 at 400 K. The origin of the decoupling of charge and heat transport lies in the fact that electrical transport occurs through the organic shell, while thermal transport is driven by the inorganic core. This study establishes design principles for high-performing thermoelectrics that leverage the unique interactions occurring at the interfaces of hybrid nanowires.

scholarly journals Self-powered multifunctional sensing based on super-elastic fibers by soluble-core thermal drawing

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Mengxiao Chen ◽  
Zhe Wang ◽  
Qichong Zhang ◽  
Zhixun Wang ◽  
Wei Liu ◽  
...  
Keyword(s):  
Polymer Fibers ◽  
Elastic Fibers ◽  
Triboelectric Nanogenerator ◽  
Large Area ◽  
Manufacturing Method ◽  
Low Viscosity ◽  
Ion Movements ◽  
Self Powered ◽  
Thermal Drawing ◽  
Viscosity Polymer

AbstractThe well-developed preform-to-fiber thermal drawing technique owns the benefit to maintain the cross-section architecture and obtain an individual micro-scale strand of fiber with the extended length up to thousand meters. In this work, we propose and demonstrate a two-step soluble-core fabrication method by combining such an inherently scalable manufacturing method with simple post-draw processing to explore the low viscosity polymer fibers and the potential of soft fiber electronics. As a result, an ultra-stretchable conductive fiber is achieved, which maintains excellent conductivity even under 1900% strain or 1.5 kg load/impact freefalling from 0.8-m height. Moreover, by combining with triboelectric nanogenerator technique, this fiber acts as a self-powered self-adapting multi-dimensional sensor attached on sports gears to monitor sports performance while bearing sudden impacts. Next, owing to its remarkable waterproof and easy packaging properties, this fiber detector can sense different ion movements in various solutions, revealing the promising applications for large-area undersea detection.

scholarly journals Mean-Field Models for EEG/MEG: From Oscillations to Waves

2021 ◽  
Author(s):  
Áine Byrne ◽  
James Ross ◽  
Rachel Nicks ◽  
Stephen Coombes
Keyword(s):  
Gap Junction ◽  
Large Scale ◽  
Mean Field ◽  
Coarse Grained ◽  
Neural Mass Model ◽  
Neuron Network ◽  
Mass Model ◽  
Mean Field Model ◽  
Neural Mass ◽  
The Rich

AbstractNeural mass models have been used since the 1970s to model the coarse-grained activity of large populations of neurons. They have proven especially fruitful for understanding brain rhythms. However, although motivated by neurobiological considerations they are phenomenological in nature, and cannot hope to recreate some of the rich repertoire of responses seen in real neuronal tissue. Here we consider a simple spiking neuron network model that has recently been shown to admit an exact mean-field description for both synaptic and gap-junction interactions. The mean-field model takes a similar form to a standard neural mass model, with an additional dynamical equation to describe the evolution of within-population synchrony. As well as reviewing the origins of this next generation mass model we discuss its extension to describe an idealised spatially extended planar cortex. To emphasise the usefulness of this model for EEG/MEG modelling we show how it can be used to uncover the role of local gap-junction coupling in shaping large scale synaptic waves.

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